ethyl (3R,5S)-4-[(3-bromophenyl)carbonylamino]adamantane-1-carboxylate

Systemtic Name: ethyl (3R,5S)-4-[(3-bromophenyl)carbonylamino]adamantane-1-carboxylate Openeye Name: ethyl (3R,5S)-4-[(3-bromobenzoyl)amino]adamantane-1-carboxylate CAS Name: (3R,5S)-4-[[(3-bromophenyl)-oxomethyl]amino]-1-adamantanecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,5S)-4-[(3-bromobenzoyl)amino]adamantane-1-carboxylate Traditional Name: (3R,5S)-4-[(3-bromobenzoyl)amino]adamantane-1-carboxylic acid ethyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CC3CC(C1)C(C(C3)C2)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C12C[C@H]3CC(C1)C[C@@H](C2)C3NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H24BrNO3/c1-2-25-19(24)20-9-12-6-14(10-20)17(15(7-12)11-20)22-18(23)13-4-3-5-16(21)8-13/h3-5,8,12,14-15,17H,2,6-7,9-11H2,1H3,(H,22,23)/t12?,14-,15+,17?,20?